Benzene, 1,1'-(1,3-propanediyl)bis-
- Formula: C15H16
- Molecular weight: 196.2875
- IUPAC Standard InChI: InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
- IUPAC Standard InChIKey: VEAFKIYNHVBNIP-UHFFFAOYSA-N
- CAS Registry Number: 1081-75-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: Propane, 1,3-diphenyl-; 1,3-Diphenylpropane
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 573.5 | K | N/A | Weast and Grasselli, 1989 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 397.2 | 0.003 | Weast and Grasselli, 1989 | BS |
| 441. to 442. | 0.027 | Frinton Laboratories Inc., 1986 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 61.5 | 357. | A | Stephenson and Malanowski, 1987 | Based on data from 342. to 577. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 820.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 787.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.79 ± 0.05 | EI | Kuck and Grutzmacher, 1979 | LLK |
| 8.6 ± 0.1 | EI | Kuck and Grutzmacher, 1978 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7+ | 11.6 | ? | EI | Kuck and Grutzmacher, 1979 | LLK |
| C7H7+ | 11.6 | ? | EI | Kuck and Grutzmacher, 1978 | LLK |
| C7H8+ | 10.0 ± 0.1 | ? | EI | Kuck and Grutzmacher, 1979 | LLK |
| C7H8+ | 9.7 ± 0.1 | ? | EI | Kuck and Grutzmacher, 1978 | LLK |
| C8H8+ | 10.0 ± 0.2 | ? | EI | Kuck and Grutzmacher, 1979 | LLK |
| C8H9+ | 10.4 ± 0.2 | ? | EI | Kuck and Grutzmacher, 1979 | LLK |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kuck and Grutzmacher, 1979
Kuck, D.; Grutzmacher, H.-Fr.,
The activation energy of the skeletal isomerization in the radical cations of toluene and cycloheptatriene by mass spectrometry of their 2-phenylethyl derivatives,
Org. Mass Spectrom., 1979, 14, 86. [all data]
Kuck and Grutzmacher, 1978
Kuck, D.; Grutzmacher, H.F.,
Hydrogen rearrangement in molecular ions of alkyl benzenes: appearance potentials and substituent effects on the formation of [C7H8]+ ions,
Org. Mass Spectrom., 1978, 13, 81. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.